N-(4-bromanyl-2-methyl-phenyl)-3-tert-butyl-1-(phenylmethyl)pyrazole-4-sulfonamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-3-tert-butyl-1-(phenylmethyl)pyrazole-4-sulfonamide Openeye Name: 1-benzyl-N-(4-bromo-2-methyl-phenyl)-3-tert-butyl-pyrazole-4-sulfonamide CAS Name: N-(4-bromo-2-methylphenyl)-3-tert-butyl-1-(phenylmethyl)-4-pyrazolesulfonamide IUPAC Name: 1-benzyl-N-(4-bromo-2-methylphenyl)-3-tert-butylpyrazole-4-sulfonamide Traditional Name: 1-benzyl-N-(4-bromo-2-methyl-phenyl)-3-tert-butyl-pyrazole-4-sulfonamide Formula: C21H24BrN3O2S MolecularWeight: 462.40316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NS(=O)(=O)C2=CN(N=C2C(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NS(=O)(=O)C2=CN(N=C2C(C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C21H24BrN3O2S/c1-15-12-17(22)10-11-18(15)24-28(26,27)19-14-25(23-20(19)21(2,3)4)13-16-8-6-5-7-9-16/h5-12,14,24H,13H2,1-4H3